HMDB0033460 RDKit 3D 4-Hydroxycinnamoylagmatine 40 40 0 0 0 0 0 0 0 0999 V2000 -5.9240 -0.0250 -1.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6595 0.3994 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0304 1.6877 0.1439 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -0.4711 0.6139 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 -0.0302 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 0.2703 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 -1.0130 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -1.1569 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -0.8054 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 0.4690 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 1.5203 -0.7525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 0.6917 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -0.2887 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0566 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -1.1566 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 -0.9705 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 0.2896 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 0.4427 1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 1.3977 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 1.2032 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6683 -0.9712 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4852 2.3525 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8694 2.0294 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3354 -1.4680 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 0.8833 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 -0.8446 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 0.6031 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 1.1131 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 -1.3626 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 -1.7771 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 -0.6169 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 -2.2413 -1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 -1.6161 -0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 1.7354 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -1.3104 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4122 -2.1414 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -1.8493 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6366 0.6043 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 2.3761 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 2.1044 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 14 1 0 1 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 M END